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1164512-96-2

1164512-96-2 structural image
Product Name: 4-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-N-[(DIMETHYLAMINO)METHYLENE]BENZENECARBOXAMIDE
Formula: C20H21ClF3N5O
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COMPUTED DESCRIPTORS

Molecular Weight 439.9 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 439.1386725 g/mol
Monoisotopic Mass 439.1386725 g/mol
Topological Polar Surface Area 52 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 602
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes